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Information card for entry 7014287
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Coordinates | 7014287.cif |
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Formula | C25 H41 N5 Ni2 O5 S |
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Calculated formula | C25 H41 N5 Ni2 O5 S |
SMILES | [Ni]1234([N](CCC[N]1=Cc1c5[O]2[Ni]26([N](Cc5cc(c1)C)(CC[N]2(C)C)CC)([O]=C(C)[O]36)OC(C)=[O]4)(C)C)N=C=S |
Title of publication | The systematic generation of monodentate bridging ethanoates in dinuclear nickel(II) complexes of asymmetric compartmental ligands |
Authors of publication | Harry Adams; Scott Clunas; David E. Fenton; Sharon E. Spey |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 3 |
Pages of publication | 441 - 448 |
a | 9.9344 ± 0.001 Å |
b | 10.0675 ± 0.0011 Å |
c | 15.9024 ± 0.0017 Å |
α | 74.225 ± 0.002° |
β | 75.56 ± 0.002° |
γ | 79.023 ± 0.002° |
Cell volume | 1469.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1038 |
Residual factor for significantly intense reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.1596 |
Weighted residual factors for all reflections included in the refinement | 0.1972 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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